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	hartrees
Energy at 0K	-637.525713
Energy at 298.15K	-637.527970
HF Energy	-637.525713
Nuclear repulsion energy	144.994676

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3234	3126	7.42
2	A'	3199	3092	4.80
3	A'	1713	1656	60.45
4	A'	1358	1313	21.60
5	A'	1258	1216	35.15
6	A'	1076	1040	94.78
7	A'	804	777	16.13
8	A'	654	632	25.69
9	A'	197	190	1.30
10	A"	897	867	0.14
11	A"	755	730	43.56
12	A"	459	444	7.27

Atom	x (Å)	y (Å)
C1	0.000	0.865
C2	1.247	0.428
Cl3	-1.383	-0.174
F4	1.571	-0.868
H5	-0.213	1.922
H6	2.103	1.088

	C1	C2	Cl3	F4	H5	H6
C1		1.3215	1.7302	2.3391	1.0775	2.1149
C2	1.3215		2.6982	1.3356	2.0888	1.0810
Cl3	1.7302	2.6982		3.0344	2.4001	3.7077
F4	2.3391	1.3356	3.0344		3.3110	2.0269
H5	1.0775	2.0888	2.4001	3.3110		2.4617
H6	2.1149	1.0810	3.7077	2.0269	2.4617

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	123.360	C1	C2	H6	123.042
C2	C1	Cl3	123.750	C2	C1	H5	120.736
Cl3	C1	H5	115.514	F4	C2	H6	113.598

All results from a given calculation for CHFCHClz ((Z)-1-Chloro-2-fluoroethene)

using model chemistry: B3LYPultrafine/cc-pVTZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	C	-0.133
2	C	0.100
3	Cl	-0.071
4	F	-0.162
5	H	0.152
6	H	0.113

	x	y	z	Total
	0.876	1.946	0.000	2.134
CHELPG
AIM
ESP

	x	y	z
x	7.516	0.410	0.000
y	0.410	4.974	0.000
z	0.000	0.000	3.239

<r²>	104.238
(<r²>)^1/2	10.210